%chk=000201076.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201076

0 1
O -3.017192 -0.843514 0.120814
O -0.188120 -4.133801 -0.276811
O 4.170506 -0.210599 -0.762490
N -2.456993 1.926333 -0.372626
C -0.672837 -0.445257 -0.622694
C -1.726734 -0.345644 0.529017
C -1.986426 1.154792 0.829042
C -0.510433 -1.932523 -0.991878
C -1.124421 0.385870 -1.854105
C -1.293114 -1.159286 1.766697
C 0.630308 0.185882 -0.135700
C -0.685824 1.830791 1.322901
C -0.102010 -2.778999 0.221116
C -2.450863 1.127417 -1.643051
C -1.060213 -2.630347 1.414530
C 0.595818 1.271138 0.770845
C 1.856661 -0.263161 -0.626894
C -3.828968 2.477159 -0.142801
C 1.796712 1.868569 1.177310
C 3.045129 0.355715 -0.197437
C 3.034665 1.420940 0.707501
C 5.454552 0.365132 -0.425842
H -2.747945 1.210377 1.649143
H 0.236163 -2.065861 -1.800163
H -1.456869 -2.328017 -1.414776
H -1.216191 -0.260551 -2.746272
H -0.337849 1.128060 -2.108566
H -2.077645 -1.082078 2.544151
H -0.375869 -0.724568 2.209285
H -0.658662 1.790049 2.430219
H -0.740458 2.913897 1.058513
H 0.950080 -2.579800 0.521485
H -2.600216 1.852413 -2.473814
H -3.293304 0.397253 -1.682990
H -0.663309 -3.170063 2.293766
H -2.022823 -3.126785 1.175137
H -2.952557 -1.781721 -0.156836
H 1.922112 -1.078558 -1.346305
H -3.807476 3.141505 0.734747
H -4.607534 1.713779 0.011902
H -4.116635 3.096080 -1.007238
H 1.772547 2.707055 1.874171
H 0.180723 -4.764000 0.365852
H 3.947646 1.900498 1.039387
H 5.500310 1.409062 -0.748959
H 6.141208 -0.258106 -1.013365
H 5.649251 0.260471 0.645083


%chk=000201076-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201076

0 1
O -3.148546 -0.955608 0.038755
O 0.007154 -4.310153 -0.128340
O 4.149734 0.062999 -0.967253
N -2.240410 1.850746 -0.414347
C -0.733651 -0.582673 -0.597762
C -1.830447 -0.465175 0.515412
C -2.044731 1.034785 0.821358
C -0.489518 -2.091447 -0.902462
C -1.232180 0.132089 -1.914596
C -1.438568 -1.285005 1.775829
C 0.549367 0.136988 -0.096565
C -0.806372 1.582834 1.568341
C -0.117556 -2.913833 0.338301
C -2.401001 1.118652 -1.688440
C -1.192356 -2.776448 1.437062
C 0.494949 1.176759 0.884448
C 1.798015 -0.181489 -0.677486
C -3.220998 2.931466 -0.235589
C 1.690021 1.843705 1.237133
C 2.982970 0.492952 -0.306451
C 2.938723 1.520948 0.664866
C 5.402521 0.734629 -0.620575
H -2.941375 1.104631 1.478415
H 0.289840 -2.220062 -1.673537
H -1.409242 -2.529945 -1.342017
H -1.559042 -0.631742 -2.645826
H -0.374588 0.666485 -2.359901
H -2.247764 -1.190117 2.524128
H -0.516418 -0.877305 2.225836
H -0.807678 1.243268 2.625249
H -0.880395 2.686007 1.595731
H 0.857474 -2.560428 0.737482
H -2.398232 1.870443 -2.502476
H -3.369226 0.571338 -1.734216
H -0.878322 -3.314806 2.353521
H -2.120721 -3.275514 1.089263
H -3.070467 -1.921012 -0.169282
H 1.887684 -0.959334 -1.441562
H -2.982485 3.517405 0.671642
H -4.273596 2.563953 -0.138452
H -3.178288 3.620808 -1.099287
H 1.642471 2.648151 1.982267
H 0.298847 -4.875813 0.631241
H 3.837599 2.065751 0.968038
H 5.360783 1.816136 -0.857114
H 6.170725 0.249594 -1.240916
H 5.650199 0.601387 0.451134


